CID 108639

Ethyl 3,4-dihydroquinoline-1(2h)-carboxylate

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCOC(=O)N1CCCC2=CC=CC=C21
InChI
InChI=1S/C12H15NO2/c1-2-15-12(14)13-9-5-7-10-6-3-4-8-11(10)13/h3-4,6,8H,2,5,7,9H2,1H3
InChIKey
YQBRPZBLROENTD-UHFFFAOYSA-N
Compound name
ethyl 3,4-dihydro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

205.11028 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.1
[M+Na]+ 228.09950 151.6
[M-H]- 204.10300 147.6
[M+NH4]+ 223.14410 163.8
[M+K]+ 244.07344 149.4
[M+H-H2O]+ 188.10754 138.0
[M+HCOO]- 250.10848 164.0
[M+CH3COO]- 264.12413 185.0
[M+Na-2H]- 226.08495 151.1
[M]+ 205.10973 144.2
[M]- 205.11083 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe